1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine

C11H15BrClN — CID 107991741

IUPAC1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(Cl)cc1Br
InChIInChI=1S/C11H15BrClN/c1-3-11(14-4-2)9-6-5-8(13)7-10(9)12/h5-7,11,14H,3-4H2,1-2H3
InChIKeyUGNZIXJVXPJTHG-UHFFFAOYSA-N
MW276.61 g/mol
LogP4.16
Rot. Bonds4

About 1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine

1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine (PubChem CID 107991741) has the molecular formula C11H15BrClN and a molecular weight of 276.61 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine
PubChem CID107991741
Molecular FormulaC11H15BrClN
Molecular Weight276.61 g/mol
Exact Mass275.01
IUPAC Name1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(Cl)cc1Br
InChIInChI=1S/C11H15BrClN/c1-3-11(14-4-2)9-6-5-8(13)7-10(9)12/h5-7,11,14H,3-4H2,1-2H3
InChIKeyUGNZIXJVXPJTHG-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.61
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-chlorophenyl)-N-ethylpent-4-yn-1-amine
CID 107993261
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 107994549
1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
CID 114886330
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 107988840
1-(2-bromo-4-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107992590
1-(2-bromo-4-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 107995834
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 107993991
1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine
CID 114979228
1-(2-bromo-5-chlorophenyl)-N,3-diethylpentan-1-amine
CID 114027172
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107996077
1-(2-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839964
N-[(2-bromo-4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 114024435

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine (CID 107991741) is 1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine is CCNC(CC)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine?
The InChIKey is UGNZIXJVXPJTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-3-11(14-4-2)9-6-5-8(13)7-10(9)12/h5-7,11,14H,3-4H2,1-2H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine?
1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine has a molecular weight of 276.61 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 107991741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).